(8aS)-8,8a-dihydro-3H-indolizin-5-one

C8H9NO — CID 10920559

IUPAC(8aS)-8,8a-dihydro-3H-indolizin-5-one
SMILESO=C1C=CC[C@H]2C=CCN12
InChIInChI=1S/C8H9NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1-2,4-5,7H,3,6H2/t7-/m0/s1
InChIKeyZQMVMMOCVVDNOC-ZETCQYMHSA-N
MW135.17 g/mol
LogP0.71
Rot. Bonds

About (8aS)-8,8a-dihydro-3H-indolizin-5-one

(8aS)-8,8a-dihydro-3H-indolizin-5-one (PubChem CID 10920559) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (8aS)-8,8a-dihydro-3H-indolizin-5-one.

Molecular Properties

Compound Name(8aS)-8,8a-dihydro-3H-indolizin-5-one
PubChem CID10920559
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(8aS)-8,8a-dihydro-3H-indolizin-5-one
SMILESO=C1C=CC[C@H]2C=CCN12
InChIInChI=1S/C8H9NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1-2,4-5,7H,3,6H2/t7-/m0/s1
InChIKeyZQMVMMOCVVDNOC-ZETCQYMHSA-N
XLogP0.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 72205202
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1-Methyl-5,6-dihydropyridin-2(1H)-one
CID 18414702
1-(4-fluorocyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-azepin-7-one
CID 123640447
8a-Prop-2-enyl-5,8-dihydroindolizin-3-one
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1-Methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
CID 10511022
(8aS)-6,8a-dihydro-3H-indolizin-5-one
CID 10855504
(8aR)-8,8a-dihydro-3H-indolizin-5-one
CID 10898767
(R)-8,8A-dihydroindolizin-3(7H)-one
CID 11344048
4H-Quinolizin-4-one, 1,6,9,9a-tetrahydro-
CID 11446435
6,7-Dihydroindolizin-3(5H)-one
CID 15521415
1-(Cyclopent-3-en-1-yl)-1H-pyrrol-2(5H)-one
CID 45088231

Frequently Asked Questions

What is the IUPAC name of (8aS)-8,8a-dihydro-3H-indolizin-5-one?
The IUPAC name of (8aS)-8,8a-dihydro-3H-indolizin-5-one (CID 10920559) is (8aS)-8,8a-dihydro-3H-indolizin-5-one.
What is the SMILES notation for (8aS)-8,8a-dihydro-3H-indolizin-5-one?
The canonical SMILES for (8aS)-8,8a-dihydro-3H-indolizin-5-one is O=C1C=CC[C@H]2C=CCN12.
What is the InChIKey of (8aS)-8,8a-dihydro-3H-indolizin-5-one?
The InChIKey is ZQMVMMOCVVDNOC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1-2,4-5,7H,3,6H2/t7-/m0/s1.
What are the key properties of (8aS)-8,8a-dihydro-3H-indolizin-5-one?
(8aS)-8,8a-dihydro-3H-indolizin-5-one has a molecular weight of 135.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8,8a-dihydro-3H-indolizin-5-one is sourced from PubChem (CID 10920559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).